![4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide structure](/static/products/3384/338411-75-9.webp)
4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide
TL;DR: 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide (CAS 338411-75-9) is a chemical compound with molecular formula C20H17N7O2S and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(5-cyano-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-yl)ethenylamino]-N,N-dimethylbenzenesulfonamide
Also Known As: 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C20H17N7O2S |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 2.48228 |
| Topological Polar Surface Area | 116.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.11646 |
| Heavy Atoms | 30 |
| Complexity | 1415.5922 |
Chemical Identifiers
| CAS Number | 338411-75-9 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)NC=CC2=NC=CC3=C2C=NC4=C(C=NN34)C#N |
Product Overview
4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide (CAS 338411-75-9), with molecular formula C20H17N7O2S and molecular weight 419.12 g/mol. IUPAC: 4-[2-(5-cyano-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-10-yl)ethenylamino]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide
Property Insights of 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide
The XLogP value of 2.48228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide. The TPSA of 116.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide?
The CAS number of 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide is 338411-75-9.
What is the molecular formula of 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide?
The molecular formula of 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide is C20H17N7O2S.
What is the molecular weight of 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide?
The molecular weight of 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide is 419.12 g/mol.
Where can I buy 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide?
You can request a quote for 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(3-cyanopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6-yl)vinyl]amino}-N,N-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.